Dear List,
Ptraj/Cpptraj has J-coupling function and Karplus.txt consists of constants
for side-chain torsions (around CA-CB atoms). Is there a way to calculate
J-coupling round the backbone torsion phi? If somebody can direct me to a
paper with relevant values, I might be able to edit the Karplus.txt file.
My question might be somewhat irrelevant for AMBER mailing list. However,
if anybody has done such analyses your feedback is appreciated.
--
Regards,
Dr. Neha S. Gandhi,
Curtin Research Fellow,
School of Biomedical Sciences,
Curtin University,
Perth GPO U1987
Australia
LinkedIn
Research Gate
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Received on Tue Apr 08 2014 - 03:00:03 PDT
